Aktuelle Masterarbeitsthemen der Forschungsgruppe Computational Pharmacy
Current Master's Theses-Projects of the Research Group Computational Pharmacy
| Forschungsgebiet Research Field | Kontakt Betreuer/in Contact Supervisor | MSc Pharmazie | MSc Drug Sciences | Bemerkungen Comments |
|---|---|---|---|---|
| Using artificial intelligence for next generation modeling of protein-ligand interactions | ja | ja | ||
| Comprehensive physico-chemical and toxicological characterization of polymer building blocks (oligomers) using in silico methods | PD Dr. Martin Smieško | ja | ja | |
| Improving protein stability: rational design of isopeptide bonds | PD Dr. Martin Smieško | ja | ja | |
| Development of methods and models for off-target binding prediction | PD Dr. Martin Smieško | ja | ja | |
| Structural and thermodynamic properties of oligosaccharides relevant for drug design | PD Dr. Martin Smieško | ja | ja | |
| Exploring structural and functional aspects of Collectin 11 by computational simulations | PD Dr. Martin Smieško | ja | ja | |
| Predicting drug – target interactions using deep learning | Manuel Sellner | ja | ja | |
| Improving molecular docking results using deep learning | Manuel Sellner | nein | ja | |
| Improving the accuracy and efficiency of ligand-based virtual screening using molecular modeling and artificial intelligence: Application to VirtualToxLab | Manuel Sellner Prof. Markus Lill | ja | ja | |
| The generation and refinement of high-quality 3D-structures for various pharmaceutically & toxicologically relevant targets and ligands | Manuel Sellner | ja | ja | |
| High throughput virtual screening of approved drugs inhibiting CYP11B1 enzyme. | Jacek Kędzierski | ja | ja | |
| Virtual screening and rational drug design of CYP11B2 enzyme inhibitors. | Jacek Kędzierski | ja | ja | |
| No longer available Investigating the dominant role of water in sugar-protein interactions | Prof. Markus Lill | ja | ja | |
| No longer available Substrate prediction of Human Carboxylesterase 1 and 2 | Prof. Markus Lill PD Dr. Martin Smieško | ja | ja | |
No longer available | André Fischer | ja | ja | |
| No longer available Polypharmacy at the androgen receptor - modeling drug-drug interactions | André Fischer | ja | ja | |
| No longer available Large-scale virtual screening of for endocrine active compounds | PD Dr. Martin Smieško | ja | ja | |
| No longer available Distinguishing agonists and antagonists at the androgen receptor | André Fischer | ja | ja |